UCSF

ZINC38581466

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 26 No

Popular Name: (4R,7aS)-3-methyl-1-[(5S)-5H-purin-6-yl]-4-(4-pyridyl)-2,4,5,7a-tetrahydropyrazolo[3,4-b]pyridin-6-o (4R,7aS)-3-methyl-1-[(5S)-5H-pur…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.16 4.89 -14.15 2 9 0 107 348.37 2 ↓
Lo Low (pH 4.5-6) 0.16 5.35 -55.31 3 9 1 108 349.378 2 ↓

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Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.